4-[(phenylmethyl)carbamothioylamino]-N-[4-[(phenylmethyl)carbamothioylamino]phenyl]benzamide

Systemtic Name: 4-[(phenylmethyl)carbamothioylamino]-N-[4-[(phenylmethyl)carbamothioylamino]phenyl]benzamide Openeye Name: 4-(benzylcarbamothioylamino)-N-[4-(benzylcarbamothioylamino)phenyl]benzamide CAS Name: 4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-N-[4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-(benzylcarbamothioylamino)-N-[4-(benzylcarbamothioylamino)phenyl]benzamide Traditional Name: 4-(benzylthiocarbamoylamino)-N-[4-(benzylthiocarbamoylamino)phenyl]benzamide Formula: C29H27N5OS2 MolecularWeight: 525.68758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C29H27N5OS2/c35-27(23-11-13-25(14-12-23)33-28(36)30-19-21-7-3-1-4-8-21)32-24-15-17-26(18-16-24)34-29(37)31-20-22-9-5-2-6-10-22/h1-18H,19-20H2,(H,32,35)(H2,30,33,36)(H2,31,34,37)